1QMS

Head-to-Tail Dimer of Calicheamicin gamma-1-I Oligosaccharide Bound to DNA Duplex, NMR, 9 Structures

Experimental Data Snapshot

  • Method: SOLUTION NMR
  • Conformers Calculated: 20 
  • Conformers Submitted: 9 
  • Selection Criteria: LOWEST RESTRAINT VIOLATION 

wwPDB Validation   3D Report Full Report


This is version 1.4 of the entry. See complete history. 


Literature

Solution Structure of the Complex between the Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide and a DNA Duplex Containing D(ACCT) and D(TCCT) High-Affinity Binding Sites

Bifulco, G., Galeone, A., Nicolaou, K.C., Chazin, W.J., Gomez-Paloma, L.

(1998) J Am Chem Soc 120: 7183-7191


Macromolecules

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Entity ID: 1
MoleculeChains LengthOrganismImage
DNA (5'-D(*GP*CP*AP*CP*CP*TP*TP*CP*CP*TP*GP*C)-3')12synthetic construct
Sequence Annotations
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  • Reference Sequence

Find similar nucleic acids by:  Sequence   |   3D Structure  

Entity ID: 2
MoleculeChains LengthOrganismImage
DNA (5'-D(*GP*CP*AP*GP*GP*AP*AP*GP*GP*TP*GP*C)-3')12synthetic construct
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
CCI
Query on CCI
Download Ideal Coordinates CCD File 
C [auth B],
E [auth B]		CALICHEAMICIN GAMMA-1-OLIGOSACCHARIDE
C38 H61 I N2 O17 S
LLRIDSCDUGRTJE-MKLYLBDDSA-N
NBU
Query on NBU
Download Ideal Coordinates CCD File 
D [auth B]N-BUTANE
C4 H10
IJDNQMDRQITEOD-UHFFFAOYSA-N
Binding Affinity Annotations 
IDSourceBinding Affinity
CCI PDBBind:  1QMS Kd: 1 (nM) from 1 assay(s)
Experimental Data & Validation

Experimental Data

  • Method: SOLUTION NMR
  • Conformers Calculated: 20 
  • Conformers Submitted: 9 
  • Selection Criteria: LOWEST RESTRAINT VIOLATION 

Structure Validation

View Full Validation Report



View more in-depth experimental data
Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 1999-10-12
    Type: Initial release
  • Version 1.1: 2012-02-08
    Changes: Derived calculations, Version format compliance
  • Version 1.2: 2013-03-27
    Changes: Derived calculations, Non-polymer description
  • Version 1.3: 2018-03-07
    Changes: Database references, Source and taxonomy
  • Version 1.4: 2019-05-08
    Changes: Data collection, Database references, Derived calculations